4-Phenyloxolan-2-one - CAS 1008-73-7
Catalog: |
BB058240 |
Product Name: |
4-Phenyloxolan-2-one |
CAS: |
1008-73-7 |
Synonyms: |
Dihydro-4-phenylfuran-2(3H)-one; 4-phenyloxolan-2-one; 4-phenyldihydrofuran-2(3h)-one; Beta-Phenylbutyrolactone; 4-Phenyltetrahydrofuran-2-one; beta-phenyl-gamma-butyrolactone |
IUPAC Name: | 4-phenyloxolan-2-one |
Description: | 4-phenyloxolan-2-one (cas# 1008-73-7) is a useful research chemical. |
Molecular Weight: | 162.18 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | C1C(COC1=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H10O2/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
InChI Key: | YFNSPPHTAARSPD-UHFFFAOYSA-N |
Melting Point: | 45 - 49°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Orange Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
16420061 | 20060126 | Dopamine/serotonin receptor ligands. 10: SAR Studies on azecine-type dopamine receptor ligands by functional screening at human cloned D1, D2L, and D5 receptors with a microplate reader based calcium assay lead to a novel potent D1/D5 selective antagonist | Journal of medicinal chemistry |
16542025 | 20051007 | Towards practical biocatalytic Baeyer-Villiger reactions: applying a thermostable enzyme in the gram-scale synthesis of optically-active lactones in a two-liquid-phase system | Beilstein journal of organic chemistry |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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